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Found 9474 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase (cyclooxygenase)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 3.05E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM235661
PNG
(3-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-chro...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H9ClN2O3/c18-12-7-5-10(6-8-12)15-19-20-16(23-15)13-9-11-3-1-2-4-14(11)22-17(13)21/h1-9H
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n/an/a 1.20E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM235662
PNG
(3-(5-p-Tolyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one ...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H12N2O3/c1-11-6-8-12(9-7-11)16-19-20-17(23-16)14-10-13-4-2-3-5-15(13)22-18(14)21/h2-10H,1H3
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n/an/a 1.18E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM235663
PNG
(3-[5-(2,4-Dichloro-phenyl)-[1,3,4]oxadiazol-2-yl]-...)
Show SMILES Clc1ccc(-c2nnc(o2)-c2cc3ccccc3oc2=O)c(Cl)c1
Show InChI InChI=1S/C17H8Cl2N2O3/c18-10-5-6-11(13(19)8-10)15-20-21-16(24-15)12-7-9-3-1-2-4-14(9)23-17(12)22/h1-8H
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n/an/a 400n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM235664
PNG
(3-[5-(4-Chloro-phenylamino)-[1,3,4]oxadiazol-2-yl]...)
Show SMILES Clc1ccc(Nc2nnc(o2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H10ClN3O3/c18-11-5-7-12(8-6-11)19-17-21-20-15(24-17)13-9-10-3-1-2-4-14(10)23-16(13)22/h1-9H,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM235665
PNG
(3-(5-o-Tolylamino-[1,3,4]oxadiazol-2-yl)-chromen-2...)
Show SMILES Cc1ccccc1Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H13N3O3/c1-11-6-2-4-8-14(11)19-18-21-20-16(24-18)13-10-12-7-3-5-9-15(12)23-17(13)22/h2-10H,1H3,(H,19,21)
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n/an/a 3.66E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM235666
PNG
(4-Chloro-N-[5-(2-oxo-2H-chromen-3-yl)-[1,3,4]oxadi...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H10ClN3O4/c19-12-7-5-10(6-8-12)15(23)20-18-22-21-16(26-18)13-9-11-3-1-2-4-14(11)25-17(13)24/h1-9H,(H,20,22,23)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 90n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM106788
PNG
(3‐(3‐methylphenyl)‐3,4‐dih...)
Show SMILES Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(7-10)13-8-12-5-6-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3
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n/an/a>1.50E+5n/an/an/an/a8.0n/a



Universidad de Santiago



Assay Description
Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153280
PNG
(1-Benzofuran-2-yl-3-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(O)c1ccc(\C=C\C(=O)c2cc3ccccc3o2)c2ccccc12
Show InChI InChI=1S/C22H17NO3/c1-23(25)19-12-10-15(17-7-3-4-8-18(17)19)11-13-20(24)22-14-16-6-2-5-9-21(16)26-22/h2-14,25H,1H3/b13-11+
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n/an/a 9.27E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153281
PNG
(1-Benzofuran-2-yl-3-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3cc4ccccc4o3)c2c1
Show InChI InChI=1S/C23H18O4/c1-25-17-9-10-18-19(14-17)15(8-12-22(18)26-2)7-11-20(24)23-13-16-5-3-4-6-21(16)27-23/h3-14H,1-2H3/b11-7+
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n/an/a 1.50E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153282
PNG
(1-Benzofuran-2-yl-3-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2cc3ccccc3o2)c1OC
Show InChI InChI=1S/C23H18O4/c1-25-22-13-15-7-3-5-9-17(15)18(23(22)26-2)11-12-19(24)21-14-16-8-4-6-10-20(16)27-21/h3-14H,1-2H3/b12-11+
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n/an/a 1.25E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153283
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-dimethy...)
Show SMILES CN(C)c1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)c2ccccc12
Show InChI InChI=1S/C23H21NO3/c1-24(2)20-10-7-16(18-5-3-4-6-19(18)20)8-11-21(25)17-9-12-22-23(15-17)27-14-13-26-22/h3-12,15H,13-14H2,1-2H3/b11-8+
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n/an/a 7.06E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153284
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(2,3-dimet...)
Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C23H20O5/c1-25-17-6-7-18-19(14-17)15(4-9-21(18)26-2)3-8-20(24)16-5-10-22-23(13-16)28-12-11-27-22/h3-10,13-14H,11-12H2,1-2H3/b8-3+
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n/an/a 1.11E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153285
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4,7-dimet...)
Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2ccc3OCCOc3c2)c1OC
Show InChI InChI=1S/C23H20O5/c1-25-22-13-15-5-3-4-6-17(15)18(23(22)26-2)8-9-19(24)16-7-10-20-21(14-16)28-12-11-27-20/h3-10,13-14H,11-12H2,1-2H3/b9-8+
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n/an/a 8.22E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153286
PNG
(3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H22N4OS/c1-27(2)20-12-11-18(16-8-4-5-9-17(16)20)21-14-19(26-28(21)24(25)30)23-13-15-7-3-6-10-22(15)29-23/h3-13,21H,14H2,1-2H3,(H2,25,30)
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n/an/a 4.53E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153287
PNG
(3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3cc4ccccc4o3)c2c1 |c:14|
Show InChI InChI=1S/C24H21N3O3S/c1-28-15-7-8-17-18(12-15)16(9-10-22(17)29-2)20-13-19(26-27(20)24(25)31)23-11-14-5-3-4-6-21(14)30-23/h3-12,20H,13H2,1-2H3,(H2,25,31)
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n/an/a 7.22E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153288
PNG
(3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c1OC |c:14|
Show InChI InChI=1S/C24H21N3O3S/c1-28-21-11-14-7-3-5-9-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)31)20-12-15-8-4-6-10-19(15)30-20/h3-12,18H,13H2,1-2H3,(H2,25,31)
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n/an/a 8.06E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153289
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H24N4O2S/c1-27(2)20-9-8-18(16-5-3-4-6-17(16)20)21-14-19(26-28(21)24(25)31)15-7-10-22-23(13-15)30-12-11-29-22/h3-10,13,21H,11-12,14H2,1-2H3,(H2,25,31)
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n/an/a 1.12E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153290
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c1OC |c:14|
Show InChI InChI=1S/C24H23N3O4S/c1-28-21-11-14-5-3-4-6-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)32)15-7-8-19-20(12-15)31-10-9-30-19/h3-8,11-12,18H,9-10,13H2,1-2H3,(H2,25,32)
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n/an/a 3.42E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153291
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3ccc4OCCOc4c3)c2c1 |c:14|
Show InChI InChI=1S/C24H23N3O4S/c1-28-15-4-5-17-18(12-15)16(6-8-21(17)29-2)20-13-19(26-27(20)24(25)32)14-3-7-22-23(11-14)31-10-9-30-22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H2,25,32)
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n/an/a 2.82E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153292
PNG
(3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c2ccccc12 |c:9|
Show InChI InChI=1S/C30H25ClN4O2/c1-34(2)26-16-15-24(22-8-4-5-9-23(22)26)27-18-25(29-17-19-7-3-6-10-28(19)37-29)33-35(27)30(36)32-21-13-11-20(31)12-14-21/h3-17,27H,18H2,1-2H3,(H,32,36)
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n/an/a 1.87E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153293
PNG
(3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3cc4ccccc4o3)c2c1 |c:14|
Show InChI InChI=1S/C30H24ClN3O4/c1-36-21-11-12-23-24(16-21)22(13-14-28(23)37-2)26-17-25(29-15-18-5-3-4-6-27(18)38-29)33-34(26)30(35)32-20-9-7-19(31)8-10-20/h3-16,26H,17H2,1-2H3,(H,32,35)
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n/an/a 2.14E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153294
PNG
(3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c1OC |c:14|
Show InChI InChI=1S/C30H24ClN3O4/c1-36-27-15-18-7-3-5-9-22(18)28(29(27)37-2)24-17-23(26-16-19-8-4-6-10-25(19)38-26)33-34(24)30(35)32-21-13-11-20(31)12-14-21/h3-16,24H,17H2,1-2H3,(H,32,35)
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n/an/a 990n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153295
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c2ccccc12 |c:9|
Show InChI InChI=1S/C30H27ClN4O3/c1-34(2)26-13-12-24(22-5-3-4-6-23(22)26)27-18-25(19-7-14-28-29(17-19)38-16-15-37-28)33-35(27)30(36)32-21-10-8-20(31)9-11-21/h3-14,17,27H,15-16,18H2,1-2H3,(H,32,36)
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n/an/a 440n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153296
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c1OC |c:14|
Show InChI InChI=1S/C30H26ClN3O5/c1-36-27-15-18-5-3-4-6-22(18)28(29(27)37-2)24-17-23(19-7-12-25-26(16-19)39-14-13-38-25)33-34(24)30(35)32-21-10-8-20(31)9-11-21/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,35)
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n/an/a 1.17E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153297
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3ccc4OCCOc4c3)c2c1 |c:14|
Show InChI InChI=1S/C30H26ClN3O5/c1-36-21-8-9-23-24(16-21)22(10-12-27(23)37-2)26-17-25(18-3-11-28-29(15-18)39-14-13-38-28)33-34(26)30(35)32-20-6-4-19(31)5-7-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,32,35)
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n/an/a 940n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 220n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM202547
PNG
(N-(4-acetylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3S/c1-12(22)13-7-9-15(10-8-13)19-16(23)11-25-18-21-20-17(24-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)
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n/an/a 1.20E+3n/an/an/an/a8.025



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM202548
PNG
(N-(4-acetylphenyl)-2-{[5-(4-chlorophenyl)-1,3,4-ox...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H14ClN3O3S/c1-11(23)12-4-8-15(9-5-12)20-16(24)10-26-18-22-21-17(25-18)13-2-6-14(19)7-3-13/h2-9H,10H2,1H3,(H,20,24)
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n/an/a 1.03E+4n/an/an/an/a8.025



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM202549
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C19H18N4O4S/c1-12(23-25)13-3-7-15(8-4-13)20-17(24)11-28-19-22-21-18(27-19)14-5-9-16(26-2)10-6-14/h3-10,25H,11H2,1-2H3,(H,20,24)/b23-12-
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n/an/a 980n/an/an/an/a8.025



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM202550
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(3,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C21H22N4O6S/c1-12(25-27)13-5-7-15(8-6-13)22-18(26)11-32-21-24-23-20(31-21)14-9-16(28-2)19(30-4)17(10-14)29-3/h5-10,27H,11H2,1-4H3,(H,22,26)/b25-12-
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n/an/a 2.12E+3n/an/an/an/a8.025



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM202551
PNG
(N-(4-acetylphenyl)-2-[(5-{1-[4-(2-methylpropyl)phe...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)o1
Show InChI InChI=1S/C24H27N3O3S/c1-15(2)13-18-5-7-19(8-6-18)16(3)23-26-27-24(30-23)31-14-22(29)25-21-11-9-20(10-12-21)17(4)28/h5-12,15-16H,13-14H2,1-4H3,(H,25,29)
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n/an/a 7.03E+4n/an/an/an/a8.025



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 66n/an/an/an/a8.025



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.48E+4n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227568
PNG
(4-Benzylidene-2-(pyridin-3-yl) oxazol-5(4H)-one (I...)
Show SMILES O=C1OC(=N\C1=C/c1ccccc1)c1cccnc1 |c:3|
Show InChI InChI=1S/C15H10N2O2/c18-15-13(9-11-5-2-1-3-6-11)17-14(19-15)12-7-4-8-16-10-12/h1-10H/b13-9-
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n/an/a 440n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227569
PNG
(4-(4-Chlorobenzylidene)-2-(pyridin-3-yl)oxazol-5(4...)
Show SMILES Clc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C15H9ClN2O2/c16-12-5-3-10(4-6-12)8-13-15(19)20-14(18-13)11-2-1-7-17-9-11/h1-9H/b13-8+
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n/an/a 450n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227570
PNG
(4-(4-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES Oc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C15H10N2O3/c18-12-5-3-10(4-6-12)8-13-15(19)20-14(17-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+
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Cairo University



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Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227571
PNG
(4-(4-Methoxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES COc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:8|
Show InChI InChI=1S/C16H12N2O3/c1-20-13-6-4-11(5-7-13)9-14-16(19)21-15(18-14)12-3-2-8-17-10-12/h2-10H,1H3/b14-9+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227572
PNG
(4-(4-(Dimethylamino)benzylidene)-2-(pyridin-3-yl)o...)
Show SMILES CN(C)c1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:9|
Show InChI InChI=1S/C17H15N3O2/c1-20(2)14-7-5-12(6-8-14)10-15-17(21)22-16(19-15)13-4-3-9-18-11-13/h3-11H,1-2H3/b15-10+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227573
PNG
(4-(2-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES Oc1ccccc1\C=C1/N=C(OC1=O)c1cccnc1 |c:10|
Show InChI InChI=1S/C15H10N2O3/c18-13-6-2-1-4-10(13)8-12-15(19)20-14(17-12)11-5-3-7-16-9-11/h1-9,18H/b12-8-
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227574
PNG
(2-(pyridin-3-yl)-4-(pyridin-3-ylmethylene)oxazol-5...)
Show SMILES O=C1OC(=N\C1=C/c1cccnc1)c1cccnc1 |c:3|
Show InChI InChI=1S/C14H9N3O2/c18-14-12(7-10-3-1-5-15-8-10)17-13(19-14)11-4-2-6-16-9-11/h1-9H/b12-7-
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227575
PNG
(5-Benzylidene-2-phenyl-3-(pyridin-3-yl)-1,2-dihydr...)
Show SMILES O=C1NN(C(=N\C1=C\c1ccccc1)c1cccnc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C21H16N4O/c26-21-19(14-16-8-3-1-4-9-16)23-20(17-10-7-13-22-15-17)25(24-21)18-11-5-2-6-12-18/h1-15H,(H,24,26)/b19-14+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227576
PNG
(5-(4-Chlorobenzylidene)-2-phenyl-3-(pyridin-3-yl)-...)
Show SMILES Clc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C21H15ClN4O/c22-17-10-8-15(9-11-17)13-19-21(27)25-26(18-6-2-1-3-7-18)20(24-19)16-5-4-12-23-14-16/h1-14H,(H,25,27)/b19-13+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227577
PNG
(5-(4-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES Oc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C21H16N4O2/c26-18-10-8-15(9-11-18)13-19-21(27)24-25(17-6-2-1-3-7-17)20(23-19)16-5-4-12-22-14-16/h1-14,26H,(H,24,27)/b19-13+
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n/an/a 96n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227578
PNG
(5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES COc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:8|
Show InChI InChI=1S/C22H18N4O2/c1-28-19-11-9-16(10-12-19)14-20-22(27)25-26(18-7-3-2-4-8-18)21(24-20)17-6-5-13-23-15-17/h2-15H,1H3,(H,25,27)/b20-14+
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n/an/a 108n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227579
PNG
(5-(4-(Dimethylamino) benzylidene)-2-phenyl-3-(pyri...)
Show SMILES CN(C)c1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:9|
Show InChI InChI=1S/C23H21N5O/c1-27(2)19-12-10-17(11-13-19)15-21-23(29)26-28(20-8-4-3-5-9-20)22(25-21)18-7-6-14-24-16-18/h3-16H,1-2H3,(H,26,29)/b21-15+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227580
PNG
(5-(2-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES Oc1ccccc1\C=C1\N=C(N(NC1=O)c1ccccc1)c1cccnc1 |c:10|
Show InChI InChI=1S/C21H16N4O2/c26-19-11-5-4-7-15(19)13-18-21(27)24-25(17-9-2-1-3-10-17)20(23-18)16-8-6-12-22-14-16/h1-14,26H,(H,24,27)/b18-13+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227581
PNG
(2-Phenyl-3-(pyridin-3-yl)-5-(pyridin-3-ylmethylene...)
Show SMILES O=C1NN(C(=N\C1=C\c1cccnc1)c1cccnc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H15N5O/c26-20-18(12-15-6-4-10-21-13-15)23-19(16-7-5-11-22-14-16)25(24-20)17-8-2-1-3-9-17/h1-14H,(H,24,26)/b18-12+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 50n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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